Ab initio calculation of multilayer magnetic structures by VASP on OpenPOWER high performance system

In this work we calculated energy and magnetic characteristics for multilayer ferromagnetic structure Co/Cu[100] by VASP on POWER architecture. We analyzed performance of the VASP package on the OpenPOWER HPC system with several Pascal P100 GPU units in compare with calculation on POWER8 CPU only an...

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Bibliographic Details
Published in:Journal of physics. Conference series 2019-02, Vol.1163 (1), p.12059
Main Authors: Borzilov, V., Lozhnikov, V., Prudnikov, P., Mamonova, M., Mamonov, A., Sorokin, A., Baksheev, G.
Format: Article
Language:English
Subjects:
Computer architecture
Ferromagnetism
Graphics processing units
High performance systems
Magnetic properties
Mathematical analysis
Multilayers
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Summary:In this work we calculated energy and magnetic characteristics for multilayer ferromagnetic structure Co/Cu[100] by VASP on POWER architecture. We analyzed performance of the VASP package on the OpenPOWER HPC system with several Pascal P100 GPU units in compare with calculation on POWER8 CPU only and on a system with Intel architecture. We revealed that the VASP calculations achieve maximum performance on OpenPOWER System with the GPUs.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1163/1/012059